HMDB0286147 RDKit 3D PC(17:0/5-iso PGF2VI) 136136 0 0 0 0 0 0 0 0999 V2000 5.7264 2.2646 2.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6024 3.2347 1.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4184 2.5277 1.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7482 1.9121 -0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 1.2631 -0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6595 0.6336 -1.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6617 -0.4676 -1.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3149 -1.6573 -1.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9933 -2.2280 -1.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5907 -3.4571 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4435 -3.2858 0.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0381 -4.6265 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8156 -4.7773 2.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9969 -4.4649 3.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 -4.7884 5.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4998 -4.0668 5.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6013 -2.6385 5.8658 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0155 -2.1832 7.0027 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3003 -1.6188 4.9574 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4524 -0.2643 5.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1336 0.6537 4.2315 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2580 2.0761 4.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0549 3.0273 3.8545 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1914 4.5960 4.4696 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.4575 4.7183 5.8244 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8418 4.9659 4.6980 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.4837 5.7526 3.4547 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3992 6.8210 3.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1864 7.8578 2.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 7.4064 1.0808 N 0 0 0 0 0 4 0 0 0 0 0 0 0.2274 6.2266 0.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1577 8.4406 0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9309 7.1405 0.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1768 0.5166 3.6946 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2909 0.4240 2.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2567 0.4635 1.5889 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5739 0.2808 1.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5572 1.3052 0.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5995 1.0856 -0.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6715 -0.2383 -1.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9598 -0.2607 -2.1716 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1450 -0.0332 -1.2651 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1989 0.3921 -2.0862 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4600 -1.4072 -0.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6305 -2.3909 -1.4891 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3841 -3.5044 -1.8876 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2685 -1.6067 -2.7286 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1430 -2.2185 -3.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1647 -2.5654 -4.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0233 -3.1763 -5.4621 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3173 -4.0716 -4.6626 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1188 -2.1976 -6.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0326 -3.0528 -6.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9812 -2.2720 -7.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7443 -1.2837 -6.7488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7312 -0.5933 -7.6898 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5692 2.4573 1.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3781 1.2522 1.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1269 2.2985 3.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9340 4.0141 1.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2569 3.6486 2.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1011 1.7264 2.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5947 3.2533 1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 1.2342 0.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9981 2.7554 -0.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6851 2.0209 -0.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1332 0.4750 0.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9613 1.3944 -2.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6675 0.2174 -2.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -0.8684 -2.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7031 -0.1163 -1.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1117 -2.4093 -1.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2474 -1.3335 0.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9301 -2.3315 -2.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2119 -1.4516 -1.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -4.2431 -0.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6012 -3.7829 -1.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7224 -2.4904 0.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4218 -2.9585 1.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8102 -5.3776 0.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0776 -4.8955 0.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5895 -5.8719 2.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1067 -4.2624 3.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8108 -5.1522 3.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3702 -3.4482 3.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5315 -4.6571 5.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3978 -5.8831 5.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4251 -4.3796 5.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3298 -4.5478 6.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1719 -0.0326 6.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5063 -0.0531 5.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8645 0.5868 3.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4224 2.2294 5.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2996 2.1527 5.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 6.5078 3.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4646 7.2995 4.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6081 8.6543 2.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0417 8.3478 2.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2332 6.0815 -0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2719 5.3503 1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 6.3019 1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8687 8.3311 -0.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 9.4535 0.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8704 8.2802 -0.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4399 7.8941 1.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1887 6.1024 1.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1666 7.3034 -0.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8073 -0.7320 1.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3693 0.6108 2.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 2.3489 0.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5807 1.9424 -1.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7889 -0.3896 -2.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6953 -1.0940 -0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8966 0.5308 -2.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9328 0.6953 -0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7697 -0.3607 -2.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2428 -1.5101 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5320 -1.6718 -0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7702 -2.7974 -0.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0177 -3.7838 -1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1932 -1.5252 -3.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2265 -2.4007 -2.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0781 -2.3799 -5.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4592 -3.8157 -6.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9765 -4.4864 -4.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6326 -1.6593 -6.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6826 -1.4421 -5.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5699 -3.7290 -7.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -3.6710 -6.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5427 -1.7469 -8.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6925 -3.0309 -8.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0406 -0.5501 -6.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 -1.7849 -5.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7489 -0.5532 -7.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3976 0.4774 -7.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8062 -1.0937 -8.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 21 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 47 41 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 20 90 1 0 20 91 1 0 21 92 1 6 22 93 1 0 22 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 31 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 33107 1 0 37108 1 0 37109 1 0 38110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 6 42115 1 1 43116 1 0 44117 1 0 44118 1 0 45119 1 1 46120 1 0 47121 1 6 48122 1 0 49123 1 0 50124 1 6 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 M CHG 2 26 -1 30 1 M END